Compound Identification
SMILES
CCC1CCC2=C(C1)SC(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C2C#N
InChIKey
InChIKey=TVSSQTCDBUQMCP-UHFFFAOYSA-N
Formula
C20H13F17N2OS
Mass
652.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organohalogen compounds
-
Class
Alkyl halides
- Subclass Alkyl fluorides
-
Class
Alkyl halides
-
Superclass
Organohalogen compounds
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Alkyl halides
Subclass
Alkyl fluorides
Intermediate Tree Nodes
Perfluoroalkyl carboxylic acid and derivatives
Direct Parent
Perfluorooctanoic acid and derivatives
Alternative Parents
N-arylamides Fatty amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Perfluorooctanoic acid or derivatives - N-arylamide - Fatty amide - Fatty acyl - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as perfluorooctanoic acid and derivatives. These are organic compounds containing an octyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the octyl chain are replaced by fluorine atoms.
External Descriptors
Not available